2-[(Z)-12-fluorododec-3-enoxy]oxane

C17H31FO2 — CID 13372592

IUPAC2-[(Z)-12-fluorododec-3-enoxy]oxane
SMILESFCCCCCCCC/C=C\CCOC1CCCCO1
InChIInChI=1S/C17H31FO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h6,8,17H,1-5,7,9-16H2/b8-6-
InChIKeyKMSLYBKAHPJMCV-VURMDHGXSA-N
MW286.43 g/mol
LogP5.18
Rot. Bonds12

About 2-[(Z)-12-fluorododec-3-enoxy]oxane

2-[(Z)-12-fluorododec-3-enoxy]oxane (PubChem CID 13372592) has the molecular formula C17H31FO2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-[(Z)-12-fluorododec-3-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-12-fluorododec-3-enoxy]oxane
PubChem CID13372592
Molecular FormulaC17H31FO2
Molecular Weight286.43 g/mol
Exact Mass286.23
IUPAC Name2-[(Z)-12-fluorododec-3-enoxy]oxane
SMILESFCCCCCCCC/C=C\CCOC1CCCCO1
InChIInChI=1S/C17H31FO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h6,8,17H,1-5,7,9-16H2/b8-6-
InChIKeyKMSLYBKAHPJMCV-VURMDHGXSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-12-fluorododec-3-enoxy]oxane?
The IUPAC name of 2-[(Z)-12-fluorododec-3-enoxy]oxane (CID 13372592) is 2-[(Z)-12-fluorododec-3-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-12-fluorododec-3-enoxy]oxane?
The canonical SMILES for 2-[(Z)-12-fluorododec-3-enoxy]oxane is FCCCCCCCC/C=C\CCOC1CCCCO1.
What is the InChIKey of 2-[(Z)-12-fluorododec-3-enoxy]oxane?
The InChIKey is KMSLYBKAHPJMCV-VURMDHGXSA-N. The full InChI is InChI=1S/C17H31FO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h6,8,17H,1-5,7,9-16H2/b8-6-.
What are the key properties of 2-[(Z)-12-fluorododec-3-enoxy]oxane?
2-[(Z)-12-fluorododec-3-enoxy]oxane has a molecular weight of 286.43 g/mol, XLogP of 5.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-12-fluorododec-3-enoxy]oxane is sourced from PubChem (CID 13372592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).